Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate

Base Information

• Chemical Name: Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate
• CAS No.: 13103-52-1
• Deprecated CAS: 125899-91-4
• Molecular Formula: C36H70 O4 S
• Molecular Weight: 599.0036
• European Community (EC) Number: 236-025-0
• UNII: 96J76U97K5
• DSSTox Substance ID: DTXSID0065353
• Nikkaji Number: J260.999A
• Wikidata: Q63399382
• Mol file: 13103-52-1.mol

Synonyms:13103-52-1;Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate;Lauryl stearyl 3,3'-thiodipropionate;dodecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate;EINECS 236-025-0;lauryl stearyl thiodipropionate;Octadecyl 3-((3-(dodecyloxy)-3-oxopropyl)thio)propionate;Propanoic acid, 3-[[3-(dodecyloxy)-3-oxopropyl]thio]-, octadecyl ester;Propanoic acid, 3-((3-(dodecyloxy)-3-oxopropyl)thio)-, octadecyl ester;SCHEMBL247153;DTXSID0065353;C36H70O4S;C36-H70-O4-S;96J76U97K5;Lauryl stearyl 3,3/'-thiodipropionate;Q63399382;3,3'-Thiobispropionic acid 1-dodecyl 1'-octadecyl ester;Propanoic acid, 3,3'-thiobis-, dodecyl octadecyl ester;Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propanoate

Chemical Property of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate

Chemical Property:

• Vapor Pressure: 1.58E-16mmHg at 25°C
• Boiling Point: 645°Cat760mmHg
• Flash Point: 295.3°C
• PSA: 77.90000
• Density: 0.93g/cm³
• LogP: 11.76860
• XLogP3: 14.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 36
• Exact Mass: 598.49948188
• Heavy Atom Count: 41
• Complexity: 540

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC

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